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BDBM50388923 CHEMBL2063283

SMILES: Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(CCC(O)=O)cc2C)cc1C

InChI Key: InChIKey=RBWJYHBKWYHRJD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50388923   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50388923
PNG
(CHEMBL2063283)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(CCC(O)=O)cc2C)cc1C
Show InChI InChI=1S/C27H27N3O3/c1-15-5-8-21(13-16(15)2)28-27(33)20-7-9-22-23(14-20)30-26(29-22)25-17(3)11-19(12-18(25)4)6-10-24(31)32/h5,7-9,11-14H,6,10H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in triglyceride synthesis after 2 hrs by LC/MS analysis


ACS Med Chem Lett 3: 411-415 (2012)


Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50388923
PNG
(CHEMBL2063283)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(CCC(O)=O)cc2C)cc1C
Show InChI InChI=1S/C27H27N3O3/c1-15-5-8-21(13-16(15)2)28-27(33)20-7-9-22-23(14-20)30-26(29-22)25-17(3)11-19(12-18(25)4)6-10-24(31)32/h5,7-9,11-14H,6,10H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells


ACS Med Chem Lett 3: 411-415 (2012)


Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT
More data for this
Ligand-Target Pair